1. Institute for Pharmaceutical and Medicinal Chemistry Heinrich Heine University Düsseldorf 40225 Düsseldorf Germany
2. Clinic for Gastroenterology, Hepatology and Infectious Diseases Heinrich Heine University Düsseldorf 40225 Düsseldorf Germany
3. John von Neumann Institute for Computing (NIC) Jülich Supercomputing Centre (JSC), and Institute for Complex Systems—Structural Biochemistry (ICS‐6) Forschungszentrum Jülich GmbH 52425 Jülich Germany